2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide

C24H23ClFNO3 — CID 155686275

IUPAC2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(C)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1
InChIInChI=1S/C24H23ClFNO3/c1-15-9-20(30-14-24(29)27-2)13-22(25)21(15)12-17-5-8-23(28)18(11-17)10-16-3-6-19(26)7-4-16/h3-9,11,13,28H,10,12,14H2,1-2H3,(H,27,29)
InChIKeyXFMLHRLHJYLJRD-UHFFFAOYSA-N
MW427.90 g/mol
LogP4.80
Rot. Bonds7

About 2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide

2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide (PubChem CID 155686275) has the molecular formula C24H23ClFNO3 and a molecular weight of 427.90 g/mol. Its IUPAC name is 2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide
PubChem CID155686275
Molecular FormulaC24H23ClFNO3
Molecular Weight427.90 g/mol
Exact Mass427.14
IUPAC Name2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cc(C)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1
InChIInChI=1S/C24H23ClFNO3/c1-15-9-20(30-14-24(29)27-2)13-22(25)21(15)12-17-5-8-23(28)18(11-17)10-16-3-6-19(26)7-4-16/h3-9,11,13,28H,10,12,14H2,1-2H3,(H,27,29)
InChIKeyXFMLHRLHJYLJRD-UHFFFAOYSA-N
XLogP4.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide (CID 155686275) is 2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide is CNC(=O)COc1cc(C)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide?
The InChIKey is XFMLHRLHJYLJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFNO3/c1-15-9-20(30-14-24(29)27-2)13-22(25)21(15)12-17-5-8-23(28)18(11-17)10-16-3-6-19(26)7-4-16/h3-9,11,13,28H,10,12,14H2,1-2H3,(H,27,29).
What are the key properties of 2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide?
2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide has a molecular weight of 427.90 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]-5-methylphenoxy]-N-methylacetamide is sourced from PubChem (CID 155686275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).